SCHEMBL726057

SCHEMBL726057

Cc1ccc(C)c(-c2cc(C(F)(F)F)nn2NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.53
PTGS2 P35354 9/20 0.43
PTGS1 P23219 7/20 0.43
TRPC3 Q13507 1/20 0.39
CYP2C9 P11712 2/20 0.38
ALOX5 P09917 2/20 0.38
PDPK1 O15530 2/20 0.38
HDAC3 O15379 1/20 0.38
CA12 O43570 1/20 0.38
PDE5A O76074 1/20 0.38
ABCB11 O95342 1/20 0.38
MT-CO2 P00403 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
CA3 P07451 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRB3 P13945 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8637389 0.91 PTGS2 (0.53) PTGESPTGS2PTGS1TRPC3CYP2C9
SCHEMBL8639293 0.90 PTGS2 (0.54) PTGESPTGS2PTGS1PDPK1FFAR4
SCHEMBL8639807 0.89 PTGS2 (0.43) PTGESPTGS2PTGS1TRPC3CYP2C9
SCHEMBL8644138 0.87 PTGS2 (0.42) PTGESPTGS2PTGS1TRPC3CYP2C9
SCHEMBL7135445 0.85 PTGS2 (0.51) PTGESPTGS2PTGS1TRPC3CYP2C9
SCHEMBL8643950 0.83 PTGS2 (0.43) PTGS2PTGS1
SCHEMBL8641600 0.83 PTGS2 (0.44) PTGESPTGS2PTGS1CYP2C9ALOX5
SCHEMBL8638531 0.83 PTGS2 (0.54) PTGS2PTGS1PDPK1
SCHEMBL27967579 0.82 PDPK1 (0.45) PTGESPTGS2PTGS1TRPC3CYP2C9
SCHEMBL8640002 0.82 PTGS2 (0.42) PTGS2PTGS1PDPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11147809-B2 Methods of treating neurofibromatosis with perillyl alcohol Neonc Technologies, Inc. (US) 2021-10-19 US claimed
US-9499461-B2 Pharmaceutical compositions comprising POH derivatives Neonc Technologies, Inc. (US) 2016-11-22 US claimed
EP-2609064-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES Neonc Technologies Inc. (US) 2013-07-03 EP claimed
WO-2012027693-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES NEONC TECHNOLOGIES INC. (US) 2012-03-01 WO claimed
EP-4323070-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2024-02-21 EP disclosed
US-20240016800-A1 METHODS OF TREATING NEUROFIBROMATOSIS WITH PERILLYL ALCOHOL UNIVERSITY OF SOUTHERN CALIFORNIA 2024-01-18 US disclosed
US-11786521-B2 Methods of treating neurofibromatosis with perillyl alcohol UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2023-10-17 US disclosed
EP-4034567-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES Neonc Technologies, Inc. (US) 2022-08-03 EP disclosed
US-20220054481-A1 METHODS OF TREATING NEUROFIBROMATOSIS WITH PERILLYL ALCOHOL UNIVERSITY OF SOUTHERN CALIFORNIA 2022-02-24 US disclosed
US-11147809-B2 Methods of treating neurofibromatosis with perillyl alcohol Neonc Technologies, Inc. (US) 2021-10-19 US disclosed
EP-3612185-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES AND METHODS OF USE Neonc Technologies, Inc. (US) 2020-02-26 EP disclosed
US-20190167669-A1 METHODS OF TREATING NEUROFIBROMATOSIS WITH PERILLYL ALCOHOL UNIVERSITY OF SOUTHERN CALIFORNIA 2019-06-06 US disclosed
WO-2019014420-A1 COMPOSITIONS AND METHODS OF DECREASING MEDICATION ERRORS AZHC, LLC (US) 2019-01-17 WO disclosed
WO-2018195149-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POH DERIVATIVES AND METHODS OF USE Neonc Technologies, Inc. (US) 2018-10-25 WO disclosed
US-20170297985-A1 METHODS OF TREATING NEUROFIBROMATOSIS WITH PERILLYL ALCOHOL NEONC TECH INC (US) 2017-10-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220054481-A1 METHODS OF TREATING NEUROFIBROMATOSIS WITH PERILLYL ALCOHOL PMP22, CHAT, REL PTGES 199/4885PTGS2 754/4885PTGS1 787/4885
US-20190167669-A1 METHODS OF TREATING NEUROFIBROMATOSIS WITH PERILLYL ALCOHOL PMP22, CHAT, REL PTGES 199/4885PTGS2 754/4885PTGS1 787/4885
US-11147809-B2 Methods of treating neurofibromatosis with perillyl alcohol PMP22, CHAT, REL PTGES 199/4885PTGS2 754/4885PTGS1 787/4885
US-20170297985-A1 METHODS OF TREATING NEUROFIBROMATOSIS WITH PERILLYL ALCOHOL PMP22, REL, CHAT PTGES 280/4885PTGS2 878/4885PTGS1 901/4885
US-20240016800-A1 METHODS OF TREATING NEUROFIBROMATOSIS WITH PERILLYL ALCOHOL PMP22, CHAT, REL PTGES 199/4885PTGS2 754/4885PTGS1 787/4885
US-11786521-B2 Methods of treating neurofibromatosis with perillyl alcohol PMP22, CHAT, REL PTGES 199/4885PTGS2 754/4885PTGS1 787/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.